SCHEMBL9760758

SCHEMBL9760758

CN1CCN(CCNc2nc3cccnc3n2Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 2/20 0.52
SIGMAR1 Q99720 1/20 0.48
TP53 P04637 3/20 0.47
MAPT P10636 1/20 0.47
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
BRD4 O60885 2/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR1A P08908 1/20 0.45
HTR2C P28335 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
RAD52 P43351 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
ENPP2 Q13822 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11473098 0.79 SSTR5 (0.52) SIGMAR1TP53MAPTPDE4APDE4B
Hydrochloric Acid SCHEMBL9760488 0.79 POLB (0.48) TP53MAPTPDE4APDE4BPDE4C
SCHEMBL9761998 0.77 KDM4E (0.53) TP53PDE4APDE4BPDE4CPDE4D
SCHEMBL9761903 0.74 PDE4A (0.50) TP53PDE4APDE4BPDE4CPDE4D
SCHEMBL9762192 0.73 KDM4E (0.49) PDE4APDE4BPDE4CPDE4DBRD4
SCHEMBL9761718 0.73 SLC6A9 (0.49) TRPC5NPSR1
Hydrochloric Acid SCHEMBL9761957 0.72 KDM4E (0.48) PDE4APDE4BPDE4CPDE4DBRD4
SCHEMBL2244026 0.72 HTR3E (0.61) MAPTHTR3EHTR3BHTR1AHTR2C
SCHEMBL1152528 0.72 SSTR5 (0.56) SIGMAR1TP53MAPTHTR1AHTR2C
SCHEMBL11480430 0.71 SSTR5 (0.50) TP53PDE4APDE4BPDE4CPDE4D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5023256-A Antihistamines DOMPE FARMACEUTICI S.P.A. (IT) 1991-06-11 US disclosed